Method for operating a facility designed for performing at least one chemical reaction

ABSTRACT

The invention relates to a method of operating a plant set up for performing at least one chemical reaction, wherein said method comprises providing process reactors of optimal technical and economic suitability for forming the production plant and wherein this providing operation comprises selecting in at least partially automated fashion the process reactors of optimal technical and economic suitability for forming the production plant from a multiplicity of process reactors taking account of reactor-specific technical parameters assigned to the process reactors of the multiplicity of process reactors and recorded in a database and of predefined process-specific technical criteria by performing at least one selection step for each process reactor of the multiplicity of process reactors which comprises verifying whether at least one reactor-specific technical parameter assigned to this process reactor and/or at least one process-specific and reactor-specific technical target value derived from at least one reactor-specific technical parameter assigned to this process reactor and from at least one process-specific technical parameter fulfils at least one process-specific technical criterion.

CROSS-REFERENCE TO RELATED APPLICATIONS

This application is a Divisional Application of U.S. patent applicationSer. No. 15/036,439, filed 13 May 2016, which is a National Stage entryof International Application No. PCT/EP2014/074268, filed 11 Nov. 2014,which claims priority to European Patent Application No. 13193132.1,filed Nov. 15, 2013. Each of these applications is incorporated byreference in its entirety.

The work which led to this invention was sponsored by grant agreementno. 228867 as part of the European Union's seventh framework programRP7/2007-2013.

BACKGROUND

The present invention relates to a method of operating a plant set upfor performing at least one chemical reaction.

The invention further relates to a computer program comprising programcode means stored on a computer-readable data storage medium, to a datastorage medium and to a computer system.

In order to perform a chemical reaction for producing a particularchemical product it is necessary to provide a production plant having anindividually designed plant structure. In order to be able to carry outthe process steps required from a process engineering perspective inindividual process stages, technically suitable process reactors must beselected and combined with one another to form a production plant.

There are typically a great many process reactors available and thereare generally also various process reactors present with which aparticular process step may be carried out. The planning of a productionplant in terms of its technical configurations and its economicviability is therefore very complex. There is therefore a need tosimplify the planning of economically and technically optimizedproduction plants.

It is an object of the invention to facilitate rapid and optimalplanning of a plant set up for performing at least one chemical reactiontaking into account the largest possible multiplicity of boundaryconditions.

SUMMARY

This object is achieved by a method, a computer program, a data storagemedium and a computer system having features disclosed hereinafter.Preferred embodiments are set forth throughout the present disclosedwhich may each constitute an aspect of the invention on their own or inany desired combination with one another.

DETAILED DESCRIPTION OF A PREFERRED EMBODIMENT

The present disclosure is directed to a method of operating a plant setup for performing at least one chemical reaction, wherein said methodcomprises providing process reactors of optimal technical and economicsuitability for forming the production plant and wherein this providingoperation comprises selecting in at least partially automated fashionthe process reactors of optimal technical and economic suitability forforming the production plant from a multiplicity of process reactorstaking account of reactor-specific technical parameters assigned to theprocess reactors of the multiplicity of process reactors and recorded ina database and of predefined process-specific technical criteria byperforming at least one selection step for each process reactor of themultiplicity of process reactors which comprises verifying whether atleast one reactor-specific technical parameter assigned to this processreactor and/or at least one process-specific and reactor-specifictechnical target value derived from at least one reactor-specifictechnical parameter assigned to this process reactor and from at leastone process-specific technical parameter fulfils at least oneprocess-specific technical criterion.

The operation of providing the process reactors of optimal technical andeconomic suitability for forming the production plant comprises not onlyphysical provision but also, in particular, the provision ofreactor-specific technical parameters for a multiplicity of processreactors in a reactor database. Individual process reactors of optimaltechnical and economic suitability for forming a particular productionplant may be selected from this reactor database in the course of the atleast partially automated selecting operation. This selecting operationtakes account not only of the reactor-specific technical parameters butalso of predefined process-specific technical criteria. Theprocess-specific technical criteria may be of a very wide variety oftypes. For example, process-specific technical criteria may be in theform of boundary conditions to be met for process steps to be carriedout.

The at least partially automated selecting operation comprisesperforming at least one selection step for each process reactor of themultiplicity of process reactors which comprises verifying whether atleast one reactor-specific technical parameter assigned to this processreactor and/or at least one process-specific and reactor-specifictechnical target value derived from at least one reactor-specifictechnical parameter assigned to this process reactor and from at leastone process-specific technical parameter fulfils at least oneprocess-specific technical criterion. A process-specific andreactor-specific technical target value may be, for example, a processreactor dwell time resulting from a model equation and this target valuemay be derived taking account of the reactor volume as areactor-specific technical parameter and of a planned volume flow andmaximum permissible dwell times as process-specific technicalparameters. When a process-specific and reactor-specific technicaltarget value is derived without taking account of a process-specifictechnical parameter, the target value may be provided, for example,directly via a reactor-specific technical parameter, for example areactor temperature or the like.

The at least partially automated selecting operation may also comprisetwo or more selection steps. A partially automated selecting operationmay comprise selecting a plurality of suitable process reactors andproviding this selection, for example as a graphical representation, toplanning staff in order that the planning staff may carry out a finalselection step. The selecting operation may alternatively be effected infully automatic fashion by final selection of a particular processreactor/a particular combination of process reactors withoutintervention by planning staff.

In an advantageous embodiment the at least partially automated selectingoperation comprises at least two successive selection steps, whereinsaid selection steps differ from one another at least in the respectiveprocess-specific technical criteria and the reactor-specific technicalparameters/process-specific and reactor-specific technical target valuescompared therewith. For example a first selection step may compriseselecting process reactors having permissible dwell times from themultiplicity of process reactors, at least one process reactor having apermissible operating pressure then being selected from these selectedprocess reactors. The number of possible selection steps may increasewith increasing number of available parameters of different types.

In a further advantageous embodiment the at least partially automatedselecting of the process reactors of optimal technical and economicsuitability for forming the production plant from the multiplicity ofprocess reactors is carried out taking account of technical informationconcerning possible serial and/or parallel arrangements of processreactors stored in a database. Arranging process reactors/reactorchannels formed by process reactors in parallel allows the productioncapacity of a reactor channel to be increased. Arranging processreactors/reactor channels in parallel and/or series moreover allowsprocess volume and dwell time to be increased. This is taken intoaccount in this embodiment of the method.

A further advantageous embodiment provides that the process-specifictechnical criterion is defined by a process-specific threshold parameterwhich when exceeded or fallen below results in the process engineeringcriterion being met or by a process-specific parameter range which whenadhered to results in the process engineering criterion being met.Comparison of reactor-specific technical parameters and/orprocess-specific and reactor-specific technical target values with theprocess-specific threshold parameter/the process-specific parameterrange makes it possible to determine whether a process-specifictechnical criterion has been met.

The process-specific technical criterion advantageously takes intoaccount whether

-   -   a mass throughput through a process reactor required to perform        a particular chemical reaction is possible,    -   a dwell time for a process reactor for performing a particular        chemical reaction is permissible,    -   an operating pressure and/or a pressure drop for a process        reactor for performing a particular chemical reaction is        permissible,    -   a heat transfer performance for a process reactor for performing        a particular chemical reaction is permissible,    -   suitable kinetics of reaction and mixing are present in a        reactor during performance of a particular chemical reaction,    -   thermally safe operation of a process reactor during performance        of a particular chemical reaction is ensured,    -   a temperature at a hotspot in a process reactor for performing a        particular chemical reaction is permissible, or    -   sufficiently thorough initial mixing of reactants by means of a        process reactor during performance of a particular chemical        reaction is achievable. Which of these process-specific        technical criteria are taken into account depends on the        particular circumstances, requirements and technical        configurations of process reactors.

The present disclosure is also directed to a computer program comprisingprogram code means stored on a computer-readable data storage mediumwhich prompt a computer or an appropriate processing unit to carry out amethod according to any of the abovementioned embodiments or any desiredcombination thereof when they are run on the computer/the appropriateprocessing unit. The abovementioned advantages cited in connection withthe method apply correspondingly to this computer program.

Moreover, the present disclosure is directed to a data storage mediumcomprising an abovementioned computer program. The abovementionedadvantages cited in connection with the method/the computer programapply correspondingly to this data storage medium.

Furthermore, the present disclosure is directed to a computer systemhaving an abovementioned computer program loaded onto it. Theabovementioned advantages cited in connection with the method/thecomputer program apply correspondingly to this computer system.

The invention is elucidated hereinbelow by way of example with referenceto the accompanying figures with the aid of preferred exemplaryembodiments and the features specified below may constitute an aspect ofthe invention either on their own or in combination with one another.

BRIEF DESCRIPTION OF THE DRAWINGS

FIG. 1 shows: a schematic representation of an exemplary procedure for amethod according to the invention,

FIG. 2 shows: a schematic representation of a further exemplaryprocedure for a method according to the invention and

FIG. 3 shows: a schematic representation of a further exemplaryprocedure for a method according to the invention.

FIG. 1 shows a schematic representation of an exemplary procedure for amethod according to the invention, wherein this embodiment comprisesselecting in at least partially automated fashion process reactors ofoptimal technical and economic suitability for forming a desiredproduction plant in the form of dwell time channel reactors from amultiplicity of process reactors taking account of reactor-specifictechnical parameters assigned to the process reactors of themultiplicity of process reactors and recorded in a database and ofpredefined process-specific technical criteria. The at least partiallyautomated selecting operation comprises seven successive selectionsteps, wherein said selection steps differ from one another at least inthe respective process-specific technical criteria and thereactor-specific technical parameters/process-specific andreactor-specific technical target values compared therewith.

Maintenance of the database to which recourse is made for selection ofprocess reactors is performed in an upstream step 10. This maintenancecomprises inputting at least reactor-specific technical parameters intothe database in manual or automated fashion.

Step 20 comprises performing a first selection step which comprisesverifying for each process reactor of the multiplicity of processreactors whether at least one reactor-specific technical parameterassigned to this process reactor in the form of a parameter range forthe possible mass throughput through the process reactor fulfils aprocess-specific technical criterion, namely whether a planned massthroughput through a process reactor necessary for performing aparticular chemical reaction is possible. If a planned mass throughputthrough a process reactor cannot be achieved it is possible to verifywhether a small adjustment of the planned mass throughput is possible inorder to achieve a mass throughput in the reactor-specific parameterrange for the possible mass throughput through the process reactor. Theresult of step 20 is a selection of process reactors exhibitingpermissible mass throughputs.

Step 30 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 20 whether a process-specific and reactor-specifictechnical target value in the form of a dwell time for the particularprocess reactor and derived using a model equation from areactor-specific technical parameter assigned to this process reactor inthe form of the particular reactor volume and from process-specifictechnical parameters in the form of a parameter range for permissibledwell times and a planned volume flow fulfils a process-specifictechnical criterion, namely whether the dwell time is in the parameterrange for permissible dwell times. If the dwell time of a processreactor is not in the parameter range for permissible dwell times it ispossible to verify whether a small adjustment of the planned massthroughput is possible in order to achieve the parameter range forpermissible dwell times. The result of step 30 is a further selection ofprocess reactors exhibiting a permissible dwell time.

Step 40 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 30 whether a reactor-specific technical parameterassigned to this process reactor in the form of a possible operatingpressure in the process reactor fulfils a process-specific technicalcriterion, namely whether the process reactor operating pressure and/ora pressure drop derived therefrom is permissible for performing aparticular chemical reaction. The result of step 40 is a furtherselection of process reactors exhibiting a permissible operatingpressure/a permissible pressure drop.

Step 50 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 40 whether a process-specific and reactor-specifictechnical target value derived from a reactor-specific technicalparameter assigned to this process reactor in the form of geometricproperties of the process reactor and from at least one process-specifictechnical parameter in the form of a planned mass throughput fulfils aprocess-specific technical criterion, namely whether flow conditions inthe process reactor are suitable for performing the desired chemicalreaction. This makes it possible to compare process reactors havingdifferent geometric properties. The result of step 50 is a furtherselection of process reactors exhibiting suitable flow conditions.

Step 60 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 50 whether a process-specific and reactor-specifictechnical target value in the form of a possible heat transferperformance of the process reactor and derived from at least onereactor-specific technical parameter assigned to this process reactorand from at least one process-specific technical parameter fulfils aprocess-specific technical criterion, namely whether a heat transferperformance of a process reactor is permissible for performing aparticular chemical reaction. The result of step 60 is a furtherselection of process reactors exhibiting suitable heat transferperformance.

Step 70 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 60 whether a process-specific and reactor-specifictechnical target value in the form of kinetics of reaction and mixing inthe process reactor during performance of a particular chemical reactionand derived from at least one reactor-specific technical parameterassigned to this process reactor and from at least one process-specifictechnical parameter fulfills a process-specific technical criterion,namely whether suitable reaction and mixing kinetics are present in thereactor during performance of a particular chemical reaction. This canalso verify whether sufficiently thorough initial mixing of reactants bymeans of the process reactor during performance of a particular chemicalreaction is achievable. The result of step 70 is a further selection ofprocess reactors exhibiting suitable reaction and mixing kinetics in thereactor during performance of a particular chemical reaction.

Step 80 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 70 whether a process-specific and reactor-specifictechnical target value derived from at least one reactor-specifictechnical parameter assigned to this process reactor and from at leastone process-specific technical parameter fulfils a process-specifictechnical criterion, namely whether thermally safe operation of theprocess reactor during performance of a particular chemical reaction isensured. This can also verify whether a temperature at a hotspot in theparticular process reactor for performing a particular chemical reactionis permissible. The result of step 80 is a further selection of processreactors which ensure thermally safe operation of the process reactorduring performance of a particular chemical reaction.

FIG. 2 shows a schematic representation of an exemplary procedure for amethod according to the invention, wherein this embodiment comprisesselecting in at least partially automated fashion process reactors ofoptimal technical and economic suitability for forming a desiredproduction plant in the form of mixing units from a multiplicity ofprocess reactors taking account of reactor-specific technical parametersassigned to the process reactors of the multiplicity of process reactorsand recorded in a database and of predefined process-specific technicalcriteria. The at least partially automated selecting operation comprisestwo successive selection steps, wherein said selection steps differ fromone another at least in the respective process-specific technicalcriteria and the reactor-specific technical parameters/process-specificand reactor-specific technical target values compared therewith.

Maintenance of the database to which recourse is made for selection ofprocess reactors is performed in upstream step 110. This maintenancecomprises inputting at least reactor-specific technical parameters intothe database in manual or automated fashion.

Step 120 comprises performing a selection step which comprises verifyingfor each process reactor of the multiplicity of process reactors whethera reactor-specific technical parameter assigned to this process reactorin the form of a possible operating pressure in the process reactorfulfils a process-specific technical criterion, namely whether theprocess reactor operating pressure and/or a pressure drop derivedtherefrom is permissible for performing a particular chemical reaction.The result of step 120 is a further selection of process reactorsexhibiting a permissible operating pressure/a permissible pressure drop.

Step 130 comprises selecting a separate process reactor which does nothave a dwell time sector arranged downstream thereof.

FIG. 3 shows a schematic representation of an exemplary procedure for amethod according to the invention, wherein this embodiment comprisesselecting in at least partially automated fashion process reactors ofoptimal technical and economic suitability for forming a desiredproduction plant in the form of continuous stirred tank reactors from amultiplicity of process reactors taking account of reactor-specifictechnical parameters assigned to the process reactors of themultiplicity of process reactors and recorded in a database and ofpredefined process-specific technical criteria. The at least partiallyautomated selecting operation comprises four successive selection steps,wherein said selection steps differ from one another at least in therespective process-specific technical criteria and the reactor-specifictechnical parameters/process-specific and reactor-specific technicaltarget values compared therewith.

Maintenance of the database to which recourse is made for selection ofprocess reactors is performed in upstream step 210. This maintenancecomprises inputting at least reactor-specific technical parameters intothe database in manual or automated fashion.

Step 220 comprises performing a selection step which comprises verifyingfor each process reactor of the multiplicity of process reactors whethera reactor-specific technical parameter assigned to this process reactorin the form of a possible operating pressure in the process reactorfulfils a process-specific technical criterion, namely whether theprocess reactor operating pressure and/or a pressure drop derivedtherefrom is permissible for performing a particular chemical reaction.The result of step 220 is a further selection of process reactorsexhibiting a permissible operating pressure/a permissible pressure drop.

Step 230 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 220 whether a process-specific and reactor-specifictechnical target value in the form of a dwell time for the particularprocess reactor and derived using a model equation from areactor-specific technical parameter assigned to this process reactor inthe form of the particular reactor volume and from process-specifictechnical parameters in the form of a parameter range for permissibledwell times and a planned volume flow fulfils a process-specifictechnical criterion, namely whether the dwell time is in the parameterrange for permissible dwell times. If the dwell time of a processreactor is not in the parameter range for permissible dwell times it ispossible to verify whether a small adjustment of the planned massthroughput is possible in order to achieve the parameter range forpermissible dwell times. The result of step 230 is a further selectionof process reactors exhibiting a permissible dwell time.

Step 240 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 230 whether a process-specific and reactor-specifictechnical target value in the form of a possible heat transferperformance of the process reactor and derived from at least onereactor-specific technical parameter assigned to this process reactorand from at least one process-specific technical parameter fulfils aprocess-specific technical criterion, namely whether a heat transferperformance of a process reactor is permissible for performing aparticular chemical reaction. The result of step 240 is a furtherselection of process reactors exhibiting suitable heat transferperformance.

Step 250 comprises performing a further selection step which comprisesverifying for each process reactor of the selection of process reactorsobtained in step 240 whether a process-specific and reactor-specifictechnical target value derived from a reactor-specific technicalparameter assigned to this process reactor in the form of geometricproperties of the process reactor and from at least one process-specifictechnical parameter in the form of a planned mass throughput fulfils aprocess-specific technical criterion, namely whether flow conditions inthe process reactor are suitable for performing the desired chemicalreaction. This makes it possible to compare process reactors havingdifferent geometric properties. The result of step 250 is a furtherselection of process reactors exhibiting suitable flow conditions.

1. A method of operating a plant set up for performing at least onechemical reaction, the method comprising: providing process reactors ofoptimal technical and economic suitability for forming a productionplant via a providing operation, wherein the providing operationcomprises selecting, in at least partially automated fashion, theprocess reactors of optimal technical and economic suitability forforming the production plant from a multiplicity of process reactorstaking account of reactor-specific technical parameters assigned to theprocess reactors of the multiplicity of process reactors and recorded ina database and of predefined process-specific technical criteria byperforming at least one selection step for each process reactor of themultiplicity of process reactors which comprises verifying whether atleast one reactor-specific technical parameter assigned to this processreactor or at least one process-specific and reactor-specific technicaltarget value derived from at least one reactor-specific technicalparameter assigned to this process reactor and from at least oneprocess-specific technical parameter fulfils at least oneprocess-specific technical criterion. wherein the process-specifictechnical criterion is employed and takes into account whether a massthroughput through a process reactor required to perform a particularchemical reaction is possible, a dwell time for a process reactor forperforming a particular chemical reaction is permissible, an operatingpressure and/or a pressure drop for a process reactor for performing aparticular chemical reaction is permissible, a heat transfer performancefor a process reactor for performing a particular chemical reaction ispermissible, suitable kinetics of reaction and mixing are present in areactor during performance of a particular chemical reaction, thermallysafe operation of a process reactor during performance of a particularchemical reaction is ensured, a temperature at a hotspot in a processreactor for performing a particular chemical reaction is permissible, orsufficiently thorough initial mixing of reactants by means of a processreactor during performance of a particular chemical reaction isachievable
 2. The method according to claim 1, wherein the at leastpartially automated selecting comprises at least two successiveselection steps, wherein the at least two successive selection stepsdiffer from one another at least in the respective process-specifictechnical criteria and the reactor-specific technicalparameters/process-specific and reactor-specific technical target valuescompared therewith.
 3. The method according to claim 1, wherein the atleast partially automated selecting of the process reactors of optimaltechnical and economic suitability for forming the production plant fromthe multiplicity of process reactors is carried out taking account oftechnical information concerning possible serial and/or parallelarrangements of process reactors stored in a database.
 4. The methodaccording to claim 1, wherein the process-specific technical criterionis definable by a process-specific threshold parameter which, whenexceeded or fallen below, results in the process engineering criterionbeing met or by a process-specific parameter range which, when adheredto, results in the process engineering criterion being met.
 5. Acomputer program comprising program code means stored on acomputer-readable data storage medium which prompt a computer or anappropriate processing unit to carry out the method according to claim1, when the program code means are run on the computer or theappropriate processing unit.
 6. A data storage medium comprising thecomputer program according to claim
 5. 7. A computer system having thecomputer program according to claim 5 loaded onto the computer system.